4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C12H16N4S — CID 80809772

IUPAC4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)N(Cc1cccs1)c1cc(N)ncn1
InChIInChI=1S/C12H16N4S/c1-9(2)16(7-10-4-3-5-17-10)12-6-11(13)14-8-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15)
InChIKeyFLFURJVPBJRHQS-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.54
Rot. Bonds4

About 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80809772) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80809772
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)N(Cc1cccs1)c1cc(N)ncn1
InChIInChI=1S/C12H16N4S/c1-9(2)16(7-10-4-3-5-17-10)12-6-11(13)14-8-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15)
InChIKeyFLFURJVPBJRHQS-UHFFFAOYSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634233
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634373
2-hydrazinyl-6-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896289
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80809772) is 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CC(C)N(Cc1cccs1)c1cc(N)ncn1.
What is the InChIKey of 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FLFURJVPBJRHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(2)16(7-10-4-3-5-17-10)12-6-11(13)14-8-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80809772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).