4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C17H29N5O — CID 171359760

IUPAC4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC2CCN(C[C@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-3-21(2)17-11-16(18-13-19-17)20-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,13-15H,3-10,12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyXQCDDZACBOBEQQ-OAHLLOKOSA-N
MW319.45 g/mol
LogP1.99
Rot. Bonds6

About 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 171359760) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID171359760
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC2CCN(C[C@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-3-21(2)17-11-16(18-13-19-17)20-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,13-15H,3-10,12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyXQCDDZACBOBEQQ-OAHLLOKOSA-N
XLogP1.99
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 171359760) is 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CCN(C)c1cc(NC2CCN(C[C@H]3CCCO3)CC2)ncn1.
What is the InChIKey of 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is XQCDDZACBOBEQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-21(2)17-11-16(18-13-19-17)20-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,13-15H,3-10,12H2,1-2H3,(H,18,19,20)/t15-/m1/s1.
What are the key properties of 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 319.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171359760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).