N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C17H26N4O — CID 126890079

IUPACN-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C17H26N4O/c1-2-15(1)21(17-3-7-18-13-19-17)16-4-8-20(9-5-16)11-14-6-10-22-12-14/h3,7,13-16H,1-2,4-6,8-12H2
InChIKeyGUEPNAYPCBGPPS-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.95
Rot. Bonds5

About N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890079) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890079
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C17H26N4O/c1-2-15(1)21(17-3-7-18-13-19-17)16-4-8-20(9-5-16)11-14-6-10-22-12-14/h3,7,13-16H,1-2,4-6,8-12H2
InChIKeyGUEPNAYPCBGPPS-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126890079) is N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(N(C2CC2)C2CCN(CC3CCOC3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GUEPNAYPCBGPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-15(1)21(17-3-7-18-13-19-17)16-4-8-20(9-5-16)11-14-6-10-22-12-14/h3,7,13-16H,1-2,4-6,8-12H2.
What are the key properties of N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).