4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine

C14H20N4S — CID 62299111

IUPAC4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)Cc2cccs2)c(CN)n1
InChIInChI=1S/C14H20N4S/c1-10(2)14-16-8-13(12(7-15)17-14)18(3)9-11-5-4-6-19-11/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyRWOVXNDHAODESO-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.76
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine

4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine (PubChem CID 62299111) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
PubChem CID62299111
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)Cc2cccs2)c(CN)n1
InChIInChI=1S/C14H20N4S/c1-10(2)14-16-8-13(12(7-15)17-14)18(3)9-11-5-4-6-19-11/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyRWOVXNDHAODESO-UHFFFAOYSA-N
XLogP2.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192
4-(chloromethyl)-N,2-di(propan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62087440
4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 112754624
4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286715
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087606
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
CID 82236281
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
CID 62087271
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine (CID 62299111) is 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine is CC(C)c1ncc(N(C)Cc2cccs2)c(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine?
The InChIKey is RWOVXNDHAODESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(2)14-16-8-13(12(7-15)17-14)18(3)9-11-5-4-6-19-11/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine?
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine has a molecular weight of 276.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 62299111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).