N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine

C14H19N5 — CID 102536345

IUPACN-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CNCc2ccncc2)cn1
InChIInChI=1S/C14H19N5/c1-11(2)19-14-17-9-13(10-18-14)8-16-7-12-3-5-15-6-4-12/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNTEIBBVIRNDYGV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds6

About N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine

N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine (PubChem CID 102536345) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine
PubChem CID102536345
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CNCc2ccncc2)cn1
InChIInChI=1S/C14H19N5/c1-11(2)19-14-17-9-13(10-18-14)8-16-7-12-3-5-15-6-4-12/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNTEIBBVIRNDYGV-UHFFFAOYSA-N
XLogP1.98
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine (CID 102536345) is N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine is CC(C)Nc1ncc(CNCc2ccncc2)cn1.
What is the InChIKey of N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine?
The InChIKey is NTEIBBVIRNDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11(2)19-14-17-9-13(10-18-14)8-16-7-12-3-5-15-6-4-12/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine?
N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).