5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine

C18H19N5 — CID 141326985

IUPAC5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine
SMILESC[C@@](c1ccc(-c2cnc(N)nc2)cc1)(c1ccn[nH]1)C1CC1
InChIInChI=1S/C18H19N5/c1-18(15-6-7-15,16-8-9-22-23-16)14-4-2-12(3-5-14)13-10-20-17(19)21-11-13/h2-5,8-11,15H,6-7H2,1H3,(H,22,23)(H2,19,20,21)/t18-/m0/s1
InChIKeyMHZGRYBJUSTOIK-SFHVURJKSA-N
MW305.39 g/mol
LogP3.16
Rot. Bonds4

About 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine

5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine (PubChem CID 141326985) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine
PubChem CID141326985
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine
SMILESC[C@@](c1ccc(-c2cnc(N)nc2)cc1)(c1ccn[nH]1)C1CC1
InChIInChI=1S/C18H19N5/c1-18(15-6-7-15,16-8-9-22-23-16)14-4-2-12(3-5-14)13-10-20-17(19)21-11-13/h2-5,8-11,15H,6-7H2,1H3,(H,22,23)(H2,19,20,21)/t18-/m0/s1
InChIKeyMHZGRYBJUSTOIK-SFHVURJKSA-N
XLogP3.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine (CID 141326985) is 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine is C[C@@](c1ccc(-c2cnc(N)nc2)cc1)(c1ccn[nH]1)C1CC1.
What is the InChIKey of 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine?
The InChIKey is MHZGRYBJUSTOIK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N5/c1-18(15-6-7-15,16-8-9-22-23-16)14-4-2-12(3-5-14)13-10-20-17(19)21-11-13/h2-5,8-11,15H,6-7H2,1H3,(H,22,23)(H2,19,20,21)/t18-/m0/s1.
What are the key properties of 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine?
5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R)-1-cyclopropyl-1-(1H-pyrazol-5-yl)ethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 141326985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).