2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

C17H29N5O — CID 75423984

IUPAC2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C17H29N5O/c1-20(2)17-18-8-4-16(19-17)21(3)15-5-9-22(10-6-15)12-14-7-11-23-13-14/h4,8,14-15H,5-7,9-13H2,1-3H3
InChIKeyVABQPYNHJYSWQS-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.48
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 75423984) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID75423984
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C17H29N5O/c1-20(2)17-18-8-4-16(19-17)21(3)15-5-9-22(10-6-15)12-14-7-11-23-13-14/h4,8,14-15H,5-7,9-13H2,1-3H3
InChIKeyVABQPYNHJYSWQS-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (CID 75423984) is 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCN(CC3CCOC3)CC2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is VABQPYNHJYSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20(2)17-18-8-4-16(19-17)21(3)15-5-9-22(10-6-15)12-14-7-11-23-13-14/h4,8,14-15H,5-7,9-13H2,1-3H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 319.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 75423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).