6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C15H23N5S — CID 80984746

IUPAC6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCc2scnc2C)c1C
InChIInChI=1S/C15H23N5S/c1-6-16-14-10(4)15(20-13(19-14)9(2)3)17-7-12-11(5)18-8-21-12/h8-9H,6-7H2,1-5H3,(H2,16,17,19,20)
InChIKeyLPAHWSCDZZXQRK-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.72
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80984746) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80984746
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCc2scnc2C)c1C
InChIInChI=1S/C15H23N5S/c1-6-16-14-10(4)15(20-13(19-14)9(2)3)17-7-12-11(5)18-8-21-12/h8-9H,6-7H2,1-5H3,(H2,16,17,19,20)
InChIKeyLPAHWSCDZZXQRK-UHFFFAOYSA-N
XLogP3.72
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 114072292
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
2-tert-butyl-6-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984747
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80955893
N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80977055
N,5-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80989512
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 71914474

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80984746) is 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCc2scnc2C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LPAHWSCDZZXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-6-16-14-10(4)15(20-13(19-14)9(2)3)17-7-12-11(5)18-8-21-12/h8-9H,6-7H2,1-5H3,(H2,16,17,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).