N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide

C12H18N6O3 — CID 80775447

IUPACN-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N6O3/c1-2-5-13-11-10(18(20)21)12(16-7-15-11)14-6-9(19)17-8-3-4-8/h7-8H,2-6H2,1H3,(H,17,19)(H2,13,14,15,16)
InChIKeySZNGVNYVPJQALN-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.90
Rot. Bonds8

About N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide

N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80775447) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80775447
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC NameN-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N6O3/c1-2-5-13-11-10(18(20)21)12(16-7-15-11)14-6-9(19)17-8-3-4-8/h7-8H,2-6H2,1H3,(H,17,19)(H2,13,14,15,16)
InChIKeySZNGVNYVPJQALN-UHFFFAOYSA-N
XLogP0.90
TPSA122.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 79401733
4-N-(3-methylcyclopentyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 114541985
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544
ethyl 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80788998
4-N-(1-cyclopentylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80820740
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403
4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80791731
2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842461
5-nitro-6-N-propyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065276
5-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324058
ethyl 3-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80796696

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80775447) is N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1ncnc(NCC(=O)NC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is SZNGVNYVPJQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-2-5-13-11-10(18(20)21)12(16-7-15-11)14-6-9(19)17-8-3-4-8/h7-8H,2-6H2,1H3,(H,17,19)(H2,13,14,15,16).
What are the key properties of N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 294.31 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80775447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).