2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine

C11H20N6 — CID 99646503

IUPAC2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC[C@@H](N)CN1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-9(12)8-16-4-6-17(7-5-16)11-14-3-2-10(13)15-11/h2-3,9H,4-8,12H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyPAKVBROWLWRQNQ-SECBINFHSA-N
MW236.32 g/mol
LogP-0.47
Rot. Bonds3

About 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine

2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 99646503) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID99646503
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC[C@@H](N)CN1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-9(12)8-16-4-6-17(7-5-16)11-14-3-2-10(13)15-11/h2-3,9H,4-8,12H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyPAKVBROWLWRQNQ-SECBINFHSA-N
XLogP-0.47
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine (CID 99646503) is 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine is C[C@@H](N)CN1CCN(c2nccc(N)n2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is PAKVBROWLWRQNQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N6/c1-9(12)8-16-4-6-17(7-5-16)11-14-3-2-10(13)15-11/h2-3,9H,4-8,12H2,1H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine?
2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 99646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).