2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

C16H26FN5 — CID 122556027

IUPAC2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCC2CCN(CC3CC3)CC2)ncc1F
InChIInChI=1S/C16H26FN5/c1-21(2)15-14(17)10-19-16(20-15)18-9-12-5-7-22(8-6-12)11-13-3-4-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyOPAHBODOOWRFSW-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.22
Rot. Bonds6

About 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 122556027) has the molecular formula C16H26FN5 and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID122556027
Molecular FormulaC16H26FN5
Molecular Weight307.42 g/mol
Exact Mass307.22
IUPAC Name2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCC2CCN(CC3CC3)CC2)ncc1F
InChIInChI=1S/C16H26FN5/c1-21(2)15-14(17)10-19-16(20-15)18-9-12-5-7-22(8-6-12)11-13-3-4-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyOPAHBODOOWRFSW-UHFFFAOYSA-N
XLogP2.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 122556027) is 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(NCC2CCN(CC3CC3)CC2)ncc1F.
What is the InChIKey of 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is OPAHBODOOWRFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5/c1-21(2)15-14(17)10-19-16(20-15)18-9-12-5-7-22(8-6-12)11-13-3-4-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 122556027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).