N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide

C15H25N5O — CID 80835175

IUPACN-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1cc(NCCCC(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C15H25N5O/c1-3-8-16-13-10-14(19-11(2)18-13)17-9-4-5-15(21)20-12-6-7-12/h10,12H,3-9H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyQPPZTAUYTHUIHB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.08
Rot. Bonds9

About N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide

N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide (PubChem CID 80835175) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
PubChem CID80835175
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1cc(NCCCC(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C15H25N5O/c1-3-8-16-13-10-14(19-11(2)18-13)17-9-4-5-15(21)20-12-6-7-12/h10,12H,3-9H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyQPPZTAUYTHUIHB-UHFFFAOYSA-N
XLogP2.08
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80835468
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 78954830
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide (CID 80835175) is N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide is CCCNc1cc(NCCCC(=O)NC2CC2)nc(C)n1.
What is the InChIKey of N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide?
The InChIKey is QPPZTAUYTHUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-8-16-13-10-14(19-11(2)18-13)17-9-4-5-15(21)20-12-6-7-12/h10,12H,3-9H2,1-2H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide?
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 80835175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).