(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine

C11H19N5 — CID 167082979

IUPAC(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine
SMILESCN(C)/C(=C1/C=CN=C(N)N1)C1CCNC1
InChIInChI=1S/C11H19N5/c1-16(2)10(8-3-5-13-7-8)9-4-6-14-11(12)15-9/h4,6,8,13H,3,5,7H2,1-2H3,(H3,12,14,15)/b10-9-
InChIKeyVFFCBCKLPXYRJW-KTKRTIGZSA-N
MW221.31 g/mol
LogP-0.20
Rot. Bonds2

About (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine

(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine (PubChem CID 167082979) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine
PubChem CID167082979
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine
SMILESCN(C)/C(=C1/C=CN=C(N)N1)C1CCNC1
InChIInChI=1S/C11H19N5/c1-16(2)10(8-3-5-13-7-8)9-4-6-14-11(12)15-9/h4,6,8,13H,3,5,7H2,1-2H3,(H3,12,14,15)/b10-9-
InChIKeyVFFCBCKLPXYRJW-KTKRTIGZSA-N
XLogP-0.20
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine?
The IUPAC name of (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine (CID 167082979) is (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine.
What is the SMILES notation for (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine?
The canonical SMILES for (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine is CN(C)/C(=C1/C=CN=C(N)N1)C1CCNC1.
What is the InChIKey of (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine?
The InChIKey is VFFCBCKLPXYRJW-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19N5/c1-16(2)10(8-3-5-13-7-8)9-4-6-14-11(12)15-9/h4,6,8,13H,3,5,7H2,1-2H3,(H3,12,14,15)/b10-9-.
What are the key properties of (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine?
(6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine has a molecular weight of 221.31 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 (6Z)-6-[dimethylamino(pyrrolidin-3-yl)methylidene]-1H-pyrimidin-2-amine is sourced from PubChem (CID 167082979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).