N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine

C12H21N5 — CID 129497977

IUPACN'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
SMILESC[C@@H]1CCCCN1c1nccc(NCCN)n1
InChIInChI=1S/C12H21N5/c1-10-4-2-3-9-17(10)12-15-7-5-11(16-12)14-8-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyRTLIFURBFIHYAO-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds4

About N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine

N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 129497977) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID129497977
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
SMILESC[C@@H]1CCCCN1c1nccc(NCCN)n1
InChIInChI=1S/C12H21N5/c1-10-4-2-3-9-17(10)12-15-7-5-11(16-12)14-8-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyRTLIFURBFIHYAO-SNVBAGLBSA-N
XLogP1.23
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112896861
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900935
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine (CID 129497977) is N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine is C[C@@H]1CCCCN1c1nccc(NCCN)n1.
What is the InChIKey of N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is RTLIFURBFIHYAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5/c1-10-4-2-3-9-17(10)12-15-7-5-11(16-12)14-8-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine?
N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 129497977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).