6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine

C10H12ClN7 — CID 106194508

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1nn[nH]n1
InChIInChI=1S/C10H12ClN7/c1-5-8(11)13-10(6-2-3-6)14-9(5)12-4-7-15-17-18-16-7/h6H,2-4H2,1H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyKNNAHJQBUDCHMS-UHFFFAOYSA-N
MW265.71 g/mol
LogP1.44
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106194508) has the molecular formula C10H12ClN7 and a molecular weight of 265.71 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106194508
Molecular FormulaC10H12ClN7
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1nn[nH]n1
InChIInChI=1S/C10H12ClN7/c1-5-8(11)13-10(6-2-3-6)14-9(5)12-4-7-15-17-18-16-7/h6H,2-4H2,1H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyKNNAHJQBUDCHMS-UHFFFAOYSA-N
XLogP1.44
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80978050
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106193577

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine (CID 106194508) is 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCc1nn[nH]n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is KNNAHJQBUDCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7/c1-5-8(11)13-10(6-2-3-6)14-9(5)12-4-7-15-17-18-16-7/h6H,2-4H2,1H3,(H,12,13,14)(H,15,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 265.71 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106194508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).