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

C14H18N4 — CID 63839132

IUPACN-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2ncc(CNC(C)C)cn2)c1
InChIInChI=1S/C14H18N4/c1-10(2)16-7-12-8-17-14(18-9-12)13-6-11(3)4-5-15-13/h4-6,8-10,16H,7H2,1-3H3
InChIKeyVPXIJWZBKHLHGP-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.35
Rot. Bonds4

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

N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 63839132) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID63839132
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2ncc(CNC(C)C)cn2)c1
InChIInChI=1S/C14H18N4/c1-10(2)16-7-12-8-17-14(18-9-12)13-6-11(3)4-5-15-13/h4-6,8-10,16H,7H2,1-3H3
InChIKeyVPXIJWZBKHLHGP-UHFFFAOYSA-N
XLogP2.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 63839132) is N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1ccnc(-c2ncc(CNC(C)C)cn2)c1.
What is the InChIKey of N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is VPXIJWZBKHLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)16-7-12-8-17-14(18-9-12)13-6-11(3)4-5-15-13/h4-6,8-10,16H,7H2,1-3H3.
What are the key properties of N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63839132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).