4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C19H29N5 — CID 59777293

IUPAC4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3C4CC5CC(C4)CC3C5)nc(N)n2)C1
InChIInChI=1S/C19H29N5/c1-21-15-2-3-24(10-15)17-9-16(22-19(20)23-17)18-13-5-11-4-12(7-13)8-14(18)6-11/h9,11-15,18,21H,2-8,10H2,1H3,(H2,20,22,23)/t11?,12?,13?,14?,15-,18?/m1/s1
InChIKeyTUGMMOKSWVHORP-PETOAZBISA-N
MW327.48 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 59777293) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID59777293
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3C4CC5CC(C4)CC3C5)nc(N)n2)C1
InChIInChI=1S/C19H29N5/c1-21-15-2-3-24(10-15)17-9-16(22-19(20)23-17)18-13-5-11-4-12(7-13)8-14(18)6-11/h9,11-15,18,21H,2-8,10H2,1H3,(H2,20,22,23)/t11?,12?,13?,14?,15-,18?/m1/s1
InChIKeyTUGMMOKSWVHORP-PETOAZBISA-N
XLogP2.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 59777293) is 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C3C4CC5CC(C4)CC3C5)nc(N)n2)C1.
What is the InChIKey of 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is TUGMMOKSWVHORP-PETOAZBISA-N. The full InChI is InChI=1S/C19H29N5/c1-21-15-2-3-24(10-15)17-9-16(22-19(20)23-17)18-13-5-11-4-12(7-13)8-14(18)6-11/h9,11-15,18,21H,2-8,10H2,1H3,(H2,20,22,23)/t11?,12?,13?,14?,15-,18?/m1/s1.
What are the key properties of 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 327.48 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 59777293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).