N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C13H18N4OS — CID 62797952

IUPACN-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C13H18N4OS/c1-4-14-12-5-10(7-18-3)16-13(17-12)6-11-8-19-9(2)15-11/h5,8H,4,6-7H2,1-3H3,(H,14,16,17)
InChIKeyYUJBOUDNTBJZDC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds6

About N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 62797952) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID62797952
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C13H18N4OS/c1-4-14-12-5-10(7-18-3)16-13(17-12)6-11-8-19-9(2)15-11/h5,8H,4,6-7H2,1-3H3,(H,14,16,17)
InChIKeyYUJBOUDNTBJZDC-UHFFFAOYSA-N
XLogP2.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methoxymethyl)-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}pyrimidin-4-amine
CID 72934920
N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113761
N,2-dimethyl-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271888
N,2-dimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271889
4-[4-(Methoxymethyl)-6-piperidin-1-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 2745354
N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206731
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132206765
N-(2,2-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132206828
N-(4,4-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132207092
N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 132207609
[6-[(4,4-Difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
CID 139300116
N-(2,2-difluorocyclohexyl)-6-(1-ethoxyethenyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 62797952) is N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is CCNc1cc(COC)nc(Cc2csc(C)n2)n1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is YUJBOUDNTBJZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-14-12-5-10(7-18-3)16-13(17-12)6-11-8-19-9(2)15-11/h5,8H,4,6-7H2,1-3H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62797952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).