(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

C14H14ClN5O2 — CID 97214919

IUPAC(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H14ClN5O2/c1-8-16-7-10-12(18-8)3-2-4-13(10)19-14-11(15)5-9(6-17-14)20(21)22/h5-7,13H,2-4H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyRDMQHTHHNCPRKP-CYBMUJFWSA-N
MW319.75 g/mol
LogP3.23
Rot. Bonds3

About (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 97214919) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID97214919
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H14ClN5O2/c1-8-16-7-10-12(18-8)3-2-4-13(10)19-14-11(15)5-9(6-17-14)20(21)22/h5-7,13H,2-4H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyRDMQHTHHNCPRKP-CYBMUJFWSA-N
XLogP3.23
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.23
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'}

Analyze (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione
CID 103824174
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
CID 133336336
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]benzenesulfonamide
CID 95740817
3-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045
methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385700
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
5-methyl-3-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 66278515
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 97214919) is (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is Cc1ncc2c(n1)CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is RDMQHTHHNCPRKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-8-16-7-10-12(18-8)3-2-4-13(10)19-14-11(15)5-9(6-17-14)20(21)22/h5-7,13H,2-4H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
(5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 319.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 97214919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).