N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide

C5H6ClN5O — CID 522919

IUPACN-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide
SMILESNc1c(Cl)ncnc1NNC=O
InChIInChI=1S/C5H6ClN5O/c6-4-3(7)5(9-1-8-4)11-10-2-12/h1-2H,7H2,(H,10,12)(H,8,9,11)
InChIKeyLQZGIHUXJKFQDZ-UHFFFAOYSA-N
MW187.59 g/mol
LogP-0.21
Rot. Bonds3

About N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide

N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide (PubChem CID 522919) has the molecular formula C5H6ClN5O and a molecular weight of 187.59 g/mol. Its IUPAC name is N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide.

Molecular Properties

Compound NameN-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide
PubChem CID522919
Molecular FormulaC5H6ClN5O
Molecular Weight187.59 g/mol
Exact Mass187.03
IUPAC NameN-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide
SMILESNc1c(Cl)ncnc1NNC=O
InChIInChI=1S/C5H6ClN5O/c6-4-3(7)5(9-1-8-4)11-10-2-12/h1-2H,7H2,(H,10,12)(H,8,9,11)
InChIKeyLQZGIHUXJKFQDZ-UHFFFAOYSA-N
XLogP-0.21
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
1-[(5-amino-6-chloropyrimidin-4-yl)amino]prop-2-en-1-ol
CID 88512150
6-chloro-4-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-4,5-diamine
CID 115564038
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol
CID 11587245
6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine
CID 131052391

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide?
The IUPAC name of N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide (CID 522919) is N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide.
What is the SMILES notation for N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide?
The canonical SMILES for N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide is Nc1c(Cl)ncnc1NNC=O.
What is the InChIKey of N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide?
The InChIKey is LQZGIHUXJKFQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN5O/c6-4-3(7)5(9-1-8-4)11-10-2-12/h1-2H,7H2,(H,10,12)(H,8,9,11).
What are the key properties of N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide?
N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide has a molecular weight of 187.59 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide is sourced from PubChem (CID 522919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).