3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide

C19H29N5O — CID 53188650

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCC1CC1
InChIInChI=1S/C19H29N5O/c25-19(20-12-15-1-2-15)6-3-14-7-9-24(10-8-14)18-11-17(21-13-22-18)23-16-4-5-16/h11,13-16H,1-10,12H2,(H,20,25)(H,21,22,23)
InChIKeyZIMHZOVZZLTZIB-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.57
Rot. Bonds8

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide (PubChem CID 53188650) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide
PubChem CID53188650
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCC1CC1
InChIInChI=1S/C19H29N5O/c25-19(20-12-15-1-2-15)6-3-14-7-9-24(10-8-14)18-11-17(21-13-22-18)23-16-4-5-16/h11,13-16H,1-10,12H2,(H,20,25)(H,21,22,23)
InChIKeyZIMHZOVZZLTZIB-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide (CID 53188650) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide is O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCC1CC1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide?
The InChIKey is ZIMHZOVZZLTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(20-12-15-1-2-15)6-3-14-7-9-24(10-8-14)18-11-17(21-13-22-18)23-16-4-5-16/h11,13-16H,1-10,12H2,(H,20,25)(H,21,22,23).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide has a molecular weight of 343.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 53188650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).