2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine

C10H13ClN4O3 — CID 7147271

IUPAC2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c1-6-8(15(16)17)9(14-10(11)13-6)12-5-7-3-2-4-18-7/h7H,2-5H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyVNAKUMCUMZNFBX-SSDOTTSWSA-N
MW272.69 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine

2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine (PubChem CID 7147271) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
PubChem CID7147271
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c1-6-8(15(16)17)9(14-10(11)13-6)12-5-7-3-2-4-18-7/h7H,2-5H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyVNAKUMCUMZNFBX-SSDOTTSWSA-N
XLogP1.94
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
4-N-cyclohexyl-6-methyl-5-nitro-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51894223
6-chloro-2-(methoxymethyl)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82459109
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 7498947
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 81037138
4-N-(3-chloro-4-methylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481451
3-methyl-4-nitro-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 66028676
2-N-(2-methoxyethyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 40517568
2-N-cyclohexyl-5-nitro-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 40602805
2-(azepan-1-yl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 7559911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine (CID 7147271) is 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine is Cc1nc(Cl)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is VNAKUMCUMZNFBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-6-8(15(16)17)9(14-10(11)13-6)12-5-7-3-2-4-18-7/h7H,2-5H2,1H3,(H,12,13,14)/t7-/m1/s1.
What are the key properties of 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine?
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 272.69 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 7147271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).