2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

C14H25N5O — CID 80819527

IUPAC2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1ncnc(NC(C)(C)C(N)=O)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-6-7-16-11-10(9(2)3)12(18-8-17-11)19-14(4,5)13(15)20/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyNPVXUMMMOKGMMA-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80819527) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80819527
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1ncnc(NC(C)(C)C(N)=O)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-6-7-16-11-10(9(2)3)12(18-8-17-11)19-14(4,5)13(15)20/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyNPVXUMMMOKGMMA-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80819527) is 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1ncnc(NC(C)(C)C(N)=O)c1C(C)C.
What is the InChIKey of 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is NPVXUMMMOKGMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-7-16-11-10(9(2)3)12(18-8-17-11)19-14(4,5)13(15)20/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 279.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80819527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).