N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine

C14H21N3S — CID 114277193

IUPACN-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(N(Cc2cccs2)C2CC2)NC1
InChIInChI=1S/C14H21N3S/c1-14(2)9-15-13(16-10-14)17(11-5-6-11)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16)
InChIKeyGPOMOFHMHQXNFN-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.70
Rot. Bonds3

About N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine

N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 114277193) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID114277193
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(N(Cc2cccs2)C2CC2)NC1
InChIInChI=1S/C14H21N3S/c1-14(2)9-15-13(16-10-14)17(11-5-6-11)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16)
InChIKeyGPOMOFHMHQXNFN-UHFFFAOYSA-N
XLogP2.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methyl-1H-1,2,4-triazole-5-thione
CID 54948060
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 61450921
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
8-N-cyclopropyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778465
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine (CID 114277193) is N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine is CC1(C)CN=C(N(Cc2cccs2)C2CC2)NC1.
What is the InChIKey of N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is GPOMOFHMHQXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-14(2)9-15-13(16-10-14)17(11-5-6-11)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine?
N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 263.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 114277193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).