2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C15H27N5O — CID 95125696

IUPAC2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ccnc(N(C)C[C@H]2CCCN(CCOC)C2)n1
InChIInChI=1S/C15H27N5O/c1-16-14-6-7-17-15(18-14)19(2)11-13-5-4-8-20(12-13)9-10-21-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyJYUKITHCNMJTRX-CYBMUJFWSA-N
MW293.41 g/mol
LogP1.31
Rot. Bonds7

About 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 95125696) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID95125696
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ccnc(N(C)C[C@H]2CCCN(CCOC)C2)n1
InChIInChI=1S/C15H27N5O/c1-16-14-6-7-17-15(18-14)19(2)11-13-5-4-8-20(12-13)9-10-21-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyJYUKITHCNMJTRX-CYBMUJFWSA-N
XLogP1.31
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 95125696) is 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ccnc(N(C)C[C@H]2CCCN(CCOC)C2)n1.
What is the InChIKey of 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is JYUKITHCNMJTRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O/c1-16-14-6-7-17-15(18-14)19(2)11-13-5-4-8-20(12-13)9-10-21-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 95125696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).