4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine

C18H31N5O — CID 72939023

IUPAC4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(NC3CCOCC3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H31N5O/c1-4-14-13-17(21-18(20-14)22(2)3)23-9-5-15(6-10-23)19-16-7-11-24-12-8-16/h13,15-16,19H,4-12H2,1-3H3
InChIKeyIEKWPALZJPSTHS-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.84
Rot. Bonds5

About 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine

4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72939023) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine
PubChem CID72939023
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(NC3CCOCC3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H31N5O/c1-4-14-13-17(21-18(20-14)22(2)3)23-9-5-15(6-10-23)19-16-7-11-24-12-8-16/h13,15-16,19H,4-12H2,1-3H3
InChIKeyIEKWPALZJPSTHS-UHFFFAOYSA-N
XLogP1.84
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine (CID 72939023) is 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine is CCc1cc(N2CCC(NC3CCOCC3)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is IEKWPALZJPSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-14-13-17(21-18(20-14)22(2)3)23-9-5-15(6-10-23)19-16-7-11-24-12-8-16/h13,15-16,19H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine?
4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 333.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-6-[4-(oxan-4-ylamino)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72939023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).