N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C18H21N5 — CID 11645208

IUPACN-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESc1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1
InChIInChI=1S/C18H21N5/c1-2-5-13(6-3-1)11-22-18-20-10-8-16(23-18)15-12-21-17-14(15)7-4-9-19-17/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,21)(H,20,22,23)
InChIKeyKEBXAEFZLCNLJJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.01
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 11645208) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID11645208
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESc1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1
InChIInChI=1S/C18H21N5/c1-2-5-13(6-3-1)11-22-18-20-10-8-16(23-18)15-12-21-17-14(15)7-4-9-19-17/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,21)(H,20,22,23)
InChIKeyKEBXAEFZLCNLJJ-UHFFFAOYSA-N
XLogP4.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 11645208) is N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is KEBXAEFZLCNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-5-13(6-3-1)11-22-18-20-10-8-16(23-18)15-12-21-17-14(15)7-4-9-19-17/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,21)(H,20,22,23).
What are the key properties of N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 11645208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).