(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H19N5O — CID 164633957

IUPAC(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOCc1cc(N[C@H]2CCCc3nn(C)cc32)ncn1
InChIInChI=1S/C14H19N5O/c1-19-7-11-12(4-3-5-13(11)18-19)17-14-6-10(8-20-2)15-9-16-14/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXUVLKVSZAZSYKY-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds4

About (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 164633957) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID164633957
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOCc1cc(N[C@H]2CCCc3nn(C)cc32)ncn1
InChIInChI=1S/C14H19N5O/c1-19-7-11-12(4-3-5-13(11)18-19)17-14-6-10(8-20-2)15-9-16-14/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXUVLKVSZAZSYKY-LBPRGKRZSA-N
XLogP1.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(6S)-4,6-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 76310861
4-N-ethyl-2-N-(4-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201341
2-N-(4,6-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201488
US9932325, Example 192
CID 132244740
6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine
CID 97137138
(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346494
(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346498
2-N-(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201494
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132206735
N-(4,4-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206796
N-(4,4-difluorocyclohexyl)-4-(1-methoxyethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132206985
N-(4,4-difluorocyclohexyl)-4-[3-(1,1-difluoroprop-2-enyl)pyrazol-1-yl]-6-(1-methoxyethyl)pyrimidin-2-amine
CID 132206994

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 164633957) is (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine is COCc1cc(N[C@H]2CCCc3nn(C)cc32)ncn1.
What is the InChIKey of (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is XUVLKVSZAZSYKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-7-11-12(4-3-5-13(11)18-19)17-14-6-10(8-20-2)15-9-16-14/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 164633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).