N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

C32H42F2N8O — CID 146327205

IUPACN-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
SMILESCCN(CC)CC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1
InChIInChI=1S/C32H42F2N8O/c1-7-40(8-2)12-11-32(6)20-41(13-14-43-32)19-23-9-10-28(35-17-23)38-31-36-18-26(34)29(39-31)24-15-25(33)30-27(16-24)42(21(3)4)22(5)37-30/h9-10,15-18,21H,7-8,11-14,19-20H2,1-6H3,(H,35,36,38,39)/t32-/m1/s1
InChIKeyNFBMJWARTLGMEX-JGCGQSQUSA-N
MW592.74 g/mol
LogP6.12
Rot. Bonds11

About N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine (PubChem CID 146327205) has the molecular formula C32H42F2N8O and a molecular weight of 592.74 g/mol. Its IUPAC name is N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
PubChem CID146327205
Molecular FormulaC32H42F2N8O
Molecular Weight592.74 g/mol
Exact Mass592.34
IUPAC NameN-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
SMILESCCN(CC)CC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1
InChIInChI=1S/C32H42F2N8O/c1-7-40(8-2)12-11-32(6)20-41(13-14-43-32)19-23-9-10-28(35-17-23)38-31-36-18-26(34)29(39-31)24-15-25(33)30-27(16-24)42(21(3)4)22(5)37-30/h9-10,15-18,21H,7-8,11-14,19-20H2,1-6H3,(H,35,36,38,39)/t32-/m1/s1
InChIKeyNFBMJWARTLGMEX-JGCGQSQUSA-N
XLogP6.12
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine (CID 146327205) is N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine is CCN(CC)CC[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1.
What is the InChIKey of N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?
The InChIKey is NFBMJWARTLGMEX-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H42F2N8O/c1-7-40(8-2)12-11-32(6)20-41(13-14-43-32)19-23-9-10-28(35-17-23)38-31-36-18-26(34)29(39-31)24-15-25(33)30-27(16-24)42(21(3)4)22(5)37-30/h9-10,15-18,21H,7-8,11-14,19-20H2,1-6H3,(H,35,36,38,39)/t32-/m1/s1.
What are the key properties of N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?
N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine has a molecular weight of 592.74 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-[2-(diethylamino)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 146327205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).