4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine

C12H17N7S — CID 80893017

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C12H17N7S/c1-3-6-13-11-14-8(2)7-10(15-11)20-12-16-17-18-19(12)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLNKOWIDEFYZACP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.08
Rot. Bonds6

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80893017) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80893017
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C12H17N7S/c1-3-6-13-11-14-8(2)7-10(15-11)20-12-16-17-18-19(12)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLNKOWIDEFYZACP-UHFFFAOYSA-N
XLogP2.08
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188403
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 114864109
N-[[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63804436

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine (CID 80893017) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is LNKOWIDEFYZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-3-6-13-11-14-8(2)7-10(15-11)20-12-16-17-18-19(12)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80893017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).