2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine

C8H11ClN4 — CID 169473384

IUPAC2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine
SMILESCNCC=Cc1cnc(Cl)nc1N
InChIInChI=1S/C8H11ClN4/c1-11-4-2-3-6-5-12-8(9)13-7(6)10/h2-3,5,11H,4H2,1H3,(H2,10,12,13)
InChIKeyIKRGWODBPACPSJ-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.94
Rot. Bonds3

About 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine

2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine (PubChem CID 169473384) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine
PubChem CID169473384
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine
SMILESCNCC=Cc1cnc(Cl)nc1N
InChIInChI=1S/C8H11ClN4/c1-11-4-2-3-6-5-12-8(9)13-7(6)10/h2-3,5,11H,4H2,1H3,(H2,10,12,13)
InChIKeyIKRGWODBPACPSJ-UHFFFAOYSA-N
XLogP0.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine
CID 169463378
2-chloro-5-(4-chlorobut-1-enyl)pyrimidin-4-amine
CID 170498928
5-(4-bromobut-1-enyl)-2-chloropyrimidin-4-amine
CID 170497235
3-(2-chloro-4-methoxypyrimidin-5-yl)-N-methylprop-2-en-1-amine
CID 169473569
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
CID 11287109
6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473240
methyl 3-(4-amino-2-chloropyrimidin-5-yl)prop-2-enoate
CID 169478827
6-methyl-5-[3-(methylamino)prop-1-enyl]pyridine-2,3-diamine
CID 169473705
2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473234
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
CID 169473070
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine (CID 169473384) is 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine is CNCC=Cc1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine?
The InChIKey is IKRGWODBPACPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-11-4-2-3-6-5-12-8(9)13-7(6)10/h2-3,5,11H,4H2,1H3,(H2,10,12,13).
What are the key properties of 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine?
2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine has a molecular weight of 198.66 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine is sourced from PubChem (CID 169473384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).