1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

C14H15N5 — CID 66413703

IUPAC1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCc1nccc(CNCc2c[nH]c3ncccc23)n1
InChIInChI=1S/C14H15N5/c1-10-16-6-4-12(19-10)9-15-7-11-8-18-14-13(11)3-2-5-17-14/h2-6,8,15H,7,9H2,1H3,(H,17,18)
InChIKeyNNGONPMKXXPURK-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (PubChem CID 66413703) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
PubChem CID66413703
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCc1nccc(CNCc2c[nH]c3ncccc23)n1
InChIInChI=1S/C14H15N5/c1-10-16-6-4-12(19-10)9-15-7-11-8-18-14-13(11)3-2-5-17-14/h2-6,8,15H,7,9H2,1H3,(H,17,18)
InChIKeyNNGONPMKXXPURK-UHFFFAOYSA-N
XLogP1.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 80648880
2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414117
1-(5-bromothiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66416040
1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893614
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (CID 66413703) is 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is Cc1nccc(CNCc2c[nH]c3ncccc23)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The InChIKey is NNGONPMKXXPURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-16-6-4-12(19-10)9-15-7-11-8-18-14-13(11)3-2-5-17-14/h2-6,8,15H,7,9H2,1H3,(H,17,18).
What are the key properties of 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine has a molecular weight of 253.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 66413703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).