N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C12H12IN3S — CID 66318811

IUPACN-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESIc1cncnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C12H12IN3S/c13-11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-17-10/h1-2,5-6,8-9H,3-4,7H2
InChIKeyJCHXMNGGGSWPAZ-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.31
Rot. Bonds4

About N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66318811) has the molecular formula C12H12IN3S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID66318811
Molecular FormulaC12H12IN3S
Molecular Weight357.22 g/mol
Exact Mass356.98
IUPAC NameN-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESIc1cncnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C12H12IN3S/c13-11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-17-10/h1-2,5-6,8-9H,3-4,7H2
InChIKeyJCHXMNGGGSWPAZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66320184
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 133350958
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 66318811) is N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Ic1cncnc1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is JCHXMNGGGSWPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3S/c13-11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-17-10/h1-2,5-6,8-9H,3-4,7H2.
What are the key properties of N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 357.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66318811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).