2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid

C14H23N5O2 — CID 135109087

IUPAC2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
SMILESCCN(C)c1cc(NC2CCN(CC(=O)O)CC2)ncn1
InChIInChI=1S/C14H23N5O2/c1-3-18(2)13-8-12(15-10-16-13)17-11-4-6-19(7-5-11)9-14(20)21/h8,10-11H,3-7,9H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyJMSFCUKTCUIKLJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid

2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid (PubChem CID 135109087) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
PubChem CID135109087
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
SMILESCCN(C)c1cc(NC2CCN(CC(=O)O)CC2)ncn1
InChIInChI=1S/C14H23N5O2/c1-3-18(2)13-8-12(15-10-16-13)17-11-4-6-19(7-5-11)9-14(20)21/h8,10-11H,3-7,9H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyJMSFCUKTCUIKLJ-UHFFFAOYSA-N
XLogP0.89
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888582
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
CID 115264217
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
4-N,4-N-dimethyl-6-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888598
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid (CID 135109087) is 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid is CCN(C)c1cc(NC2CCN(CC(=O)O)CC2)ncn1.
What is the InChIKey of 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid?
The InChIKey is JMSFCUKTCUIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-18(2)13-8-12(15-10-16-13)17-11-4-6-19(7-5-11)9-14(20)21/h8,10-11H,3-7,9H2,1-2H3,(H,20,21)(H,15,16,17).
What are the key properties of 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid?
2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135109087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).