2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine

C12H16N4S — CID 54946553

IUPAC2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
SMILESCC(C)N(Cc1cccs1)c1ncc(N)cn1
InChIInChI=1S/C12H16N4S/c1-9(2)16(8-11-4-3-5-17-11)12-14-6-10(13)7-15-12/h3-7,9H,8,13H2,1-2H3
InChIKeyLYOSINPTQHPZQS-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.54
Rot. Bonds4

About 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine

2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 54946553) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
PubChem CID54946553
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
SMILESCC(C)N(Cc1cccs1)c1ncc(N)cn1
InChIInChI=1S/C12H16N4S/c1-9(2)16(8-11-4-3-5-17-11)12-14-6-10(13)7-15-12/h3-7,9H,8,13H2,1-2H3
InChIKeyLYOSINPTQHPZQS-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

5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83184144
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
5-(aminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79393291

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine (CID 54946553) is 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine is CC(C)N(Cc1cccs1)c1ncc(N)cn1.
What is the InChIKey of 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is LYOSINPTQHPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(2)16(8-11-4-3-5-17-11)12-14-6-10(13)7-15-12/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine?
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-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 2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 54946553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).