4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine

C11H21N5 — CID 154344821

IUPAC4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCCC(CC2(N)C=CNC(N)=N2)C1
InChIInChI=1S/C11H21N5/c1-16-6-2-3-9(8-16)7-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15)
InChIKeyAZVUHMILPJCEEO-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.20
Rot. Bonds2

About 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine

4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154344821) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
PubChem CID154344821
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCCC(CC2(N)C=CNC(N)=N2)C1
InChIInChI=1S/C11H21N5/c1-16-6-2-3-9(8-16)7-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15)
InChIKeyAZVUHMILPJCEEO-UHFFFAOYSA-N
XLogP-0.20
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 154337652
4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine
CID 154228565
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
4-prop-2-ynyl-1H-pyrimidine-2,4-diamine
CID 87454955
4-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492554
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
CID 116929365
5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093645
[1-[(1-methylpiperidin-3-yl)methyl]cyclopropyl]methanol
CID 116928942
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
CID 134126084
N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281613
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine (CID 154344821) is 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine is CN1CCCC(CC2(N)C=CNC(N)=N2)C1.
What is the InChIKey of 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is AZVUHMILPJCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-16-6-2-3-9(8-16)7-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15).
What are the key properties of 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154344821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).