6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

C14H18ClN3S — CID 63730032

IUPAC6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)Cc1cccs1
InChIInChI=1S/C14H18ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,17,18)
InChIKeySIWCUIRKJBYOGS-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.19
Rot. Bonds6

About 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 63730032) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID63730032
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)Cc1cccs1
InChIInChI=1S/C14H18ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,17,18)
InChIKeySIWCUIRKJBYOGS-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73254462
N-(1-thiophen-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184676
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 63729127
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
6-chloro-N-[1-(2-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63729819
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (CID 63730032) is 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)Cc1cccs1.
What is the InChIKey of 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is SIWCUIRKJBYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63730032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).