N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C18H31N5O — CID 50969613

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCC2(N(C)C)CCOCC2)c1C
InChIInChI=1S/C18H31N5O/c1-14-15(2)20-17(23-9-5-6-10-23)21-16(14)19-13-18(22(3)4)7-11-24-12-8-18/h5-13H2,1-4H3,(H,19,20,21)
InChIKeyNUYSQIZAUIICFH-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.22
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 50969613) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID50969613
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCC2(N(C)C)CCOCC2)c1C
InChIInChI=1S/C18H31N5O/c1-14-15(2)20-17(23-9-5-6-10-23)21-16(14)19-13-18(22(3)4)7-11-24-12-8-18/h5-13H2,1-4H3,(H,19,20,21)
InChIKeyNUYSQIZAUIICFH-UHFFFAOYSA-N
XLogP2.22
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 50969613) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(NCC2(N(C)C)CCOCC2)c1C.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is NUYSQIZAUIICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-15(2)20-17(23-9-5-6-10-23)21-16(14)19-13-18(22(3)4)7-11-24-12-8-18/h5-13H2,1-4H3,(H,19,20,21).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50969613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).