4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine

C10H15N5O2 — CID 114044760

IUPAC4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine
SMILESCC(CC1CC1)Nc1nc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-6(4-7-2-3-7)13-9-8(15(16)17)5-12-10(11)14-9/h5-7H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyMKIVYJRMRSLVBZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.57
Rot. Bonds5

About 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine

4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine (PubChem CID 114044760) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine
PubChem CID114044760
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine
SMILESCC(CC1CC1)Nc1nc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-6(4-7-2-3-7)13-9-8(15(16)17)5-12-10(11)14-9/h5-7H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyMKIVYJRMRSLVBZ-UHFFFAOYSA-N
XLogP1.57
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045446
N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079936
4-[[(2-amino-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138501
5-nitro-4-N-(1-oxothian-4-yl)pyrimidine-2,4-diamine
CID 114045369
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 114044387
2-[2-[(2-amino-5-nitropyrimidin-4-yl)amino]ethyl]propane-1,3-diol
CID 141313147
5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747514
2-chloro-5-nitro-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 106196060
5-nitro-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 114044720
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
CID 79175938
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106378852

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine (CID 114044760) is 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine is CC(CC1CC1)Nc1nc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is MKIVYJRMRSLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(4-7-2-3-7)13-9-8(15(16)17)5-12-10(11)14-9/h5-7H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine?
4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine has a molecular weight of 237.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 114044760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).