4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine

C13H21N5 — CID 42623653

IUPAC4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESC[C@H]1CN(c2cc(CC3CC3)nc(N)n2)CCN1
InChIInChI=1S/C13H21N5/c1-9-8-18(5-4-15-9)12-7-11(6-10-2-3-10)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t9-/m0/s1
InChIKeyTZMLSPOMKNNOQJ-VIFPVBQESA-N
MW247.35 g/mol
LogP0.81
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine

4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 42623653) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID42623653
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESC[C@H]1CN(c2cc(CC3CC3)nc(N)n2)CCN1
InChIInChI=1S/C13H21N5/c1-9-8-18(5-4-15-9)12-7-11(6-10-2-3-10)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t9-/m0/s1
InChIKeyTZMLSPOMKNNOQJ-VIFPVBQESA-N
XLogP0.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623737
4-N-[(4-fluorophenyl)methyl]-6-[(3S)-3-methylpiperazin-1-yl]pyrimidine-2,4-diamine
CID 90808187
(3S)-1-(6-bromo-4-chloro-2-pyridinyl)-3-methylpiperazine
CID 178042521
4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 66740107
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 67218084
4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine
CID 86331644
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
2-(aminomethyl)-5-chloro-3-(3-methylpiperazin-1-yl)aniline
CID 121326491

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine (CID 42623653) is 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine is C[C@H]1CN(c2cc(CC3CC3)nc(N)n2)CCN1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is TZMLSPOMKNNOQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N5/c1-9-8-18(5-4-15-9)12-7-11(6-10-2-3-10)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t9-/m0/s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42623653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).