4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide

C11H17N5O — CID 116796107

IUPAC4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
SMILESNc1ccnc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H17N5O/c12-9-5-7-14-11(16-9)13-6-1-2-10(17)15-8-3-4-8/h5,7-8H,1-4,6H2,(H,15,17)(H3,12,13,14,16)
InChIKeyKOVOEQWTEXCKID-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.53
Rot. Bonds6

About 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide

4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide (PubChem CID 116796107) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
PubChem CID116796107
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
SMILESNc1ccnc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H17N5O/c12-9-5-7-14-11(16-9)13-6-1-2-10(17)15-8-3-4-8/h5,7-8H,1-4,6H2,(H,15,17)(H3,12,13,14,16)
InChIKeyKOVOEQWTEXCKID-UHFFFAOYSA-N
XLogP0.53
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.53
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

N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80849792
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide (CID 116796107) is 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide is Nc1ccnc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is KOVOEQWTEXCKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-9-5-7-14-11(16-9)13-6-1-2-10(17)15-8-3-4-8/h5,7-8H,1-4,6H2,(H,15,17)(H3,12,13,14,16).
What are the key properties of 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide?
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 235.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 116796107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).